Our Mission

The energy problem, environmental and health issues, as well as the recent economic struggles pose major challenges for current societies. Catalysis and materials science can play a major role in overcoming such challenges with the engineering of tailored materials suitable for applications such as the conversion of renewable feedstocks into chemicals and fuels, the storage of hydrogen, or the utilisation of CO2. Such applications are key in the development of efficient technologies and the improvement of the quality of life.

Our research efforts aim towards obtaining a fundamental understanding of the underlying physico-chemical processes during catalysis and materials synthesis. We use multiscale computational methods to model, simulate and predict the properties of materials for desired applications.

2016

2015

03/09/2015 - Matt was awarded the "Best Oral Presentation Prize" at the annual IChemE Catalysis Special Interest Group conference, held at the University of Bath, for his presentation "Ab initio kinetic Monte Carlo Simulations of H2 Spillover Control on a Bimetallic Catalyst". Congratulations, Matt!

06/08/2015 - Our entry "Catalysis on sub-nanoscale Au" for the Research Project Award of the IChemE Global Awards has been shortlisted! This was a joint submission with Prof. Dionisios Vlachos at the University of Delaware and Prof. Giannis Mpourmpakis at the University of Pittsburgh.

12/02/2015 - Michail delivered an invited seminar at the International Max Planck Research School Functional Interfaces in Physics and Chemistry, Workshop “ Micro to Macro”, held in Schloss Ringberg, Kreuth, Germany.

27/05/2014 - Michail and Simone's paper on CO Oxidation on Pd(111) is published at ACS Catalysis. Simone visited our lab last year (on 15 June 2013) when we started the collaboration on this project.

26/03/2014 - Michail's eCSE proposal "Zacros Software Package Development: Pushing the Frontiers of Kinetic Monte Carlo Simulation in Catalysis", in collaboration with the Research Software Development Team (Dr James Hetherington, co-I) and Research Computing Platforms (Dr Bruno Silva, co-I), has been successful!

2013

12/12/2013 - Our article in the Journal of Chemical Physics is published online. This work introduces Graph-Theoretical KMC simulations incorporating cluster expansion Hamiltonians for the lattice energetics.

09/09/2013 - Ryan Arevalo from Osaka University, Japan, visits our lab as a TYC Junior Research Fellow, to study the kinetics of borohydride oxidation on metal surfaces. This study will provide insight in the development of fuel cells for portable applications. Welcome, Ryan!